Çok ölçekli modelleme
Çok ölçekli modelleme ya da çok ölçekli matematik, sorunların çözülmesi için zaman veya uzayın birden fazla ölçeğindeki özelliklerinin kullanıldığı bir bilim dalıdır. Bu sorunlar arasında akışkanlar,[1][2] solids,[2][3] polimerler,[4][5] proteinler,[6][7][8][9] nükleik asitler[10] ile adsorpsiyon, kimyasal reaksiyonlar, difüzyon gibi çeşitli fiziksel ve kimyasal olaylar yer almaktadır.[8][11][12]
Kaynakça
[değiştir | kaynağı değiştir]- ^ Chen, Shiyi; Doolen, Gary D. (1 Ocak 1998). "Lattice Boltzmann Method for Fluid Flows". Annual Review of Fluid Mechanics. 30 (1): 329-364. Bibcode:1998AnRFM..30..329C. doi:10.1146/annurev.fluid.30.1.329.
- ^ a b Steinhauser, M. O. (2017). Multiscale Modeling of Fluids and Solids - Theory and Applications. ISBN 978-3662532225.
- ^ Oden, J. Tinsley; Vemaganti, Kumar; Moës, Nicolas (16 Nisan 1999). "Hierarchical modeling of heterogeneous solids". Computer Methods in Applied Mechanics and Engineering. 172 (1): 3-25. Bibcode:1999CMAME.172....3O. doi:10.1016/S0045-7825(98)00224-2.
- ^ Zeng, Q. H.; Yu, A. B.; Lu, G. Q. (1 Şubat 2008). "Multiscale modeling and simulation of polymer nanocomposites". Progress in Polymer Science. 33 (2): 191-269. doi:10.1016/j.progpolymsci.2007.09.002.
- ^ Baeurle, S. A. (2008). "Multiscale modeling of polymer materials using field-theoretic methodologies: A survey about recent developments". Journal of Mathematical Chemistry. 46 (2): 363-426. doi:10.1007/s10910-008-9467-3.
- ^ Kmiecik, Sebastian; Gront, Dominik; Kolinski, Michal; Wieteska, Lukasz; Dawid, Aleksandra Elzbieta; Kolinski, Andrzej (22 Haziran 2016). "Coarse-Grained Protein Models and Their Applications". Chemical Reviews. 116 (14): 7898-7936. doi:10.1021/acs.chemrev.6b00163. ISSN 0009-2665. PMID 27333362.
- ^ Levitt, Michael (15 Eylül 2014). "Birth and Future of Multiscale Modeling for Macromolecular Systems (Nobel Lecture)". Angewandte Chemie International Edition (İngilizce). 53 (38): 10006-10018. doi:10.1002/anie.201403691. ISSN 1521-3773. PMID 25100216.
- ^ a b Karplus, Martin (15 Eylül 2014). "Development of Multiscale Models for Complex Chemical Systems: From H+H2 to Biomolecules (Nobel Lecture)". Angewandte Chemie International Edition (İngilizce). 53 (38): 9992-10005. doi:10.1002/anie.201403924. ISSN 1521-3773. PMID 25066036.
- ^ Warshel, Arieh (15 Eylül 2014). "Multiscale Modeling of Biological Functions: From Enzymes to Molecular Machines (Nobel Lecture)". Angewandte Chemie International Edition (İngilizce). 53 (38): 10020-10031. doi:10.1002/anie.201403689. ISSN 1521-3773. PMC 4948593 $2. PMID 25060243.
- ^ De Pablo, Juan J. (2011). "Coarse-Grained Simulations of Macromolecules: From DNA to Nanocomposites". Annual Review of Physical Chemistry. 62: 555-574. Bibcode:2011ARPC...62..555D. doi:10.1146/annurev-physchem-032210-103458. PMID 21219152.
- ^ Knizhnik, A.A.; Bagaturyants, A.A.; Belov, I.V.; Potapkin, B.V.; Korkin, A.A. (2002). "An integrated kinetic Monte Carlo molecular dynamics approach for film growth modeling and simulation: ZrO2 deposition on Si surface". Computational Materials Science. 24 (1-2): 128-132. doi:10.1016/S0927-0256(02)00174-X.
- ^ Adamson, S.; Astapenko, V.; Chernysheva, I.; Chorkov, V.; Deminsky, M.; Demchenko, G.; Demura, A.; Demyanov, A.; Dyatko, N.; Eletzkii, A; Knizhnik, A; Kochetov, I; Napartovich, A; Rykova, E; Sukhanov, L; Umanskii, S; Vetchinkin, A; Zaitsevskii, A; Potapkin, B (2007). "Multiscale multiphysics nonempirical approach to calculation of light emission properties of chemically active nonequilibrium plasma: Application to Ar GaI3 system". Journal of Physics D: Applied Physics. 40 (13): 3857-3881. Bibcode:2007JPhD...40.3857A. doi:10.1088/0022-3727/40/13/S06.